1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea

C11H22N2O3S — CID 70968527

IUPAC1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea
SMILESCCS(=O)(=O)CC1(NC(=O)NC)CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-3-17(15,16)9-11(13-10(14)12-2)7-5-4-6-8-11/h3-9H2,1-2H3,(H2,12,13,14)
InChIKeyBCVYOBACPIRJIN-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.05
Rot. Bonds4

About 1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea

1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea (PubChem CID 70968527) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea
PubChem CID70968527
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea
SMILESCCS(=O)(=O)CC1(NC(=O)NC)CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-3-17(15,16)9-11(13-10(14)12-2)7-5-4-6-8-11/h3-9H2,1-2H3,(H2,12,13,14)
InChIKeyBCVYOBACPIRJIN-UHFFFAOYSA-N
XLogP1.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea?
The IUPAC name of 1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea (CID 70968527) is 1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea.
What is the SMILES notation for 1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea?
The canonical SMILES for 1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea is CCS(=O)(=O)CC1(NC(=O)NC)CCCCC1.
What is the InChIKey of 1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea?
The InChIKey is BCVYOBACPIRJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-17(15,16)9-11(13-10(14)12-2)7-5-4-6-8-11/h3-9H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea?
1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea has a molecular weight of 262.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylsulfonylmethyl)cyclohexyl]-3-methylurea is sourced from PubChem (CID 70968527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).